ChemSpider 2D Image | (1S,5R,13S,14R,15R,17S)-10-Methoxy-4-methyl-12,16-dioxa-4-azahexacyclo[9.7.1.0~1,13~.0~5,18~.0~7,19~.0~15,17~]nonadeca-7(19),8,10-trien-14-ol | C18H21NO4

(1S,5R,13S,14R,15R,17S)-10-Methoxy-4-methyl-12,16-dioxa-4-azahexacyclo[9.7.1.01,13.05,18.07,19.015,17]nonadeca-7(19),8,10-trien-14-ol

  • Molecular FormulaC18H21NO4
  • Average mass315.364 Da
  • Monoisotopic mass315.147064 Da
  • ChemSpider ID58818140

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1S,5R,13S,14R,15R,17S)-10-Methoxy-4-methyl-12,16-dioxa-4-azahexacyclo[9.7.1.01,13.05,18.07,19.015,17]nonadeca-7(19),8,10-trien-14-ol [German] [ACD/IUPAC Name]
(1S,5R,13S,14R,15R,17S)-10-Methoxy-4-methyl-12,16-dioxa-4-azahexacyclo[9.7.1.01,13.05,18.07,19.015,17]nonadeca-7(19),8,10-trien-14-ol [ACD/IUPAC Name]
(1S,5R,13S,14R,15R,17S)-10-Méthoxy-4-méthyl-12,16-dioxa-4-azahexacyclo[9.7.1.01,13.05,18.07,19.015,17]nonadéca-7(19),8,10-trién-14-ol [French] [ACD/IUPAC Name]
1,5-Methano-2H-benzofuro[3,2-e]oxireno[h]isoquinolin-10-ol, 1,3,4,9a,10,10a,11a,11b-octahydro-8-methoxy-2-methyl-, (1R,4aS,9aS,10R,10aR,11aS)- [ACD/Index Name]
72785-20-7 [RN]
Codeine-7,8-oxide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 500.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 81.0±3.0 kJ/mol
Flash Point: 256.5±30.1 °C
Index of Refraction: 1.683
Molar Refractivity: 82.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.40
ACD/LogD (pH 5.5): -1.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.55
Polar Surface Area: 54 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 65.7±5.0 dyne/cm
Molar Volume: 217.8±5.0 cm3

Click to predict properties on the Chemicalize site


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